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FORMAT OF THE FRAGMENT NUMBERS FILE

The fragment numbers file is a binary file of variable length records with two records per hit crystal fragment.

It is output by QUEST3D and can be accessed by GSTAT and the interactive CSD statistical analysis package.

Record 1 is a fragment 'header' record of 6 words ( 24 bytes ):

Words			Contents

1 The QUEST3D test number from which produced the crystal fragment 2 The sequential fragment number 3&4 The CCDC reference code 5 Symmetry indicator, p p=1 fragment atoms come only from those stored in this CSD entry p=2 fragment atoms are those stored in this CSD entry plus symmetry relatives 6 The number of atoms in the fragment, n

Record 2 consists of (p x n) integers in the following order:


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